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

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H20N2O3S3 MolecularWeight: 432.5794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N2O3S3/c1-11-7-8-12-15(9-11)27-18(17(12)19(24)25-2)22-16(23)10-26-20-21-13-5-3-4-6-14(13)28-20/h3-6,11H,7-10H2,1-2H3,(H,22,23)