ethyl 2-[[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C24H22N2O3S3 MolecularWeight: 482.63808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H22N2O3S3/c1-2-29-24(28)20-14-8-4-3-5-10-16(14)31-23(20)26-21(27)18-12-13-19(30-18)22-25-15-9-6-7-11-17(15)32-22/h6-7,9,11-13H,2-5,8,10H2,1H3,(H,26,27)