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

Systemtic Name: ethyl 3-[(2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoate CAS Name: 3-[[(2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate Traditional Name: 3-[(2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCC(C3)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCC(C3)C)NC(=O)C

InChI

InChI=1S/C21H24N2O4S/c1-4-27-21(26)14-6-5-7-15(11-14)23-19(25)18-16-9-8-12(2)10-17(16)28-20(18)22-13(3)24/h5-7,11-12H,4,8-10H2,1-3H3,(H,22,24)(H,23,25)