ethyl 2-[(2-acetamido-3-phenyl-prop-2-enoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-acetamido-3-phenyl-prop-2-enoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-acetamido-3-phenyl-prop-2-enoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(2-acetamido-1-oxo-3-phenylprop-2-enyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-acetamido-3-phenylprop-2-enoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-acetamido-3-phenyl-acryloyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C(=CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C(=CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C23H25N3O4S2/c1-3-30-22(29)19-16-11-7-8-12-18(16)32-21(19)26-23(31)25-20(28)17(24-14(2)27)13-15-9-5-4-6-10-15/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,24,27)(H2,25,26,28,31)