ethyl 2-[2-[[5-[(3,4-dimethylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[5-[(3,4-dimethylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[[5-[(3,4-dimethylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[5-[[(3,4-dimethylphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]-1-oxopropyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[[5-[(3,4-dimethylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[2-[[5-[(3,4-dimethylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C26H30N4O4S3 MolecularWeight: 558.7358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)SC3=NN=C(S3)NC(=O)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)SC3=NN=C(S3)NC(=O)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C26H30N4O4S3/c1-5-34-24(33)20-18-9-7-6-8-10-19(18)36-23(20)27-21(31)16(4)35-26-30-29-25(37-26)28-22(32)17-12-11-14(2)15(3)13-17/h11-13,16H,5-10H2,1-4H3,(H,27,31)(H,28,29,32)