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

Systemtic Name: propan-2-yl 4-[(2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoate Openeye Name: isopropyl 4-[(2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoate CAS Name: 4-[[(2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate Traditional Name: 4-[(2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoic acid isopropyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-12(2)28-22(27)15-6-8-16(9-7-15)24-20(26)19-17-10-5-13(3)11-18(17)29-21(19)23-14(4)25/h6-9,12-13H,5,10-11H2,1-4H3,(H,23,25)(H,24,26)