ethyl 2-[2-[[5-[(4-methylphenyl)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-[(4-methylphenyl)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-[(4-methylbenzoyl)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-[[(4-methylphenyl)-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-[(4-methylbenzoyl)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-(p-toluoylamino)-1,3,4-thiadiazol-2-yl]thio]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C25H28N4O4S3 MolecularWeight: 544.70922

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4S3/c1-4-33-23(32)19-17-8-6-5-7-9-18(17)35-22(19)26-20(30)15(3)34-25-29-28-24(36-25)27-21(31)16-12-10-14(2)11-13-16/h10-13,15H,4-9H2,1-3H3,(H,26,30)(H,27,28,31)