methyl 2-[(2-ethylsulfanylphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-ethylsulfanylphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-ethylsulfanylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[2-(ethylthio)phenyl]-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-ethylsulfanylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(ethylthio)benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

InChI

InChI=1S/C20H23NO3S2/c1-3-25-15-11-8-7-10-14(15)18(22)21-19-17(20(23)24-2)13-9-5-4-6-12-16(13)26-19/h7-8,10-11H,3-6,9,12H2,1-2H3,(H,21,22)