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

Systemtic Name: methyl 3-[(2-benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoate Openeye Name: methyl 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]benzoic acid methyl ester IUPAC Name: methyl 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]benzoic acid methyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC(=C3)C(=O)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC(=C3)C(=O)OC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4S/c1-15-11-12-19-20(13-15)32-24(27-22(28)16-7-4-3-5-8-16)21(19)23(29)26-18-10-6-9-17(14-18)25(30)31-2/h3-10,14-15H,11-13H2,1-2H3,(H,26,29)(H,27,28)