ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(1,3-benzothiazol-2-ylthio)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H24N2O3S3 MolecularWeight: 460.63256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O3S3/c1-4-27-21(26)18-14-10-9-12(2)11-17(14)29-20(18)24-19(25)13(3)28-22-23-15-7-5-6-8-16(15)30-22/h5-8,12-13H,4,9-11H2,1-3H3,(H,24,25)