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

Systemtic Name: ethyl 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoate CAS Name: 4-[[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate Traditional Name: 4-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C20H22N2O4S/c1-3-26-20(25)13-8-10-14(11-9-13)22-18(24)17-15-6-4-5-7-16(15)27-19(17)21-12(2)23/h8-11H,3-7H2,1-2H3,(H,21,23)(H,22,24)