ethyl 6-methyl-2-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[2-(4-phenylthiazol-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-[(4-phenyl-2-thiazolyl)thio]propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[2-[(4-phenylthiazol-2-yl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O3S3 MolecularWeight: 486.66984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)SC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)SC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3S3/c1-4-29-23(28)20-17-11-10-14(2)12-19(17)32-22(20)26-21(27)15(3)31-24-25-18(13-30-24)16-8-6-5-7-9-16/h5-9,13-15H,4,10-12H2,1-3H3,(H,26,27)