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

Systemtic Name: propyl 3-[(2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-4-10-28-22(27)15-6-5-7-16(12-15)24-20(26)19-17-9-8-13(2)11-18(17)29-21(19)23-14(3)25/h5-7,12-13H,4,8-11H2,1-3H3,(H,23,25)(H,24,26)