methyl 3-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 3-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)benzoate Openeye Name: methyl 3-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)benzoate Traditional Name: 3-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)benzoic acid methyl ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C17H17NO3S/c1-21-17(20)12-6-4-7-13(9-12)18-16(19)15-10-11-5-2-3-8-14(11)22-15/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,18,19)