ethyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(1-methylimidazol-2-yl)thio]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=NC=CN4C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=NC=CN4C

InChI

InChI=1S/C24H27N3O3S2/c1-3-30-23(29)21-18-10-9-17(16-7-5-4-6-8-16)15-19(18)32-22(21)26-20(28)11-14-31-24-25-12-13-27(24)2/h4-8,12-13,17H,3,9-11,14-15H2,1-2H3,(H,26,28)