3-[(2-benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoate

Systemtic Name: 3-[(2-benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoate Openeye Name: 3-[(2-benzamido-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoate CAS Name: 3-[[(2-benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]benzoate IUPAC Name: 3-[(2-benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate Traditional Name: 3-[(2-benzamido-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoate Formula: C24H21N2O4S- MolecularWeight: 433.49954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC(=C3)C(=O)[O-])NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC(=C3)C(=O)[O-])NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H22N2O4S/c1-14-10-11-18-19(12-14)31-23(26-21(27)15-6-3-2-4-7-15)20(18)22(28)25-17-9-5-8-16(13-17)24(29)30/h2-9,13-14H,10-12H2,1H3,(H,25,28)(H,26,27)(H,29,30)/p-1