propan-2-yl 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C23H29NO3S2 MolecularWeight: 431.61126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CSC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CSC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C23H29NO3S2/c1-13(2)27-23(26)21-17-9-7-15(4)11-19(17)29-22(21)24-20(25)12-28-18-10-14(3)6-8-16(18)5/h6,8,10,13,15H,7,9,11-12H2,1-5H3,(H,24,25)