methyl 6-methyl-2-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-keto-4H-1,4-benzothiazin-2-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O4S2/c1-11-7-8-12-15(9-11)29-20(18(12)21(26)27-2)23-17(24)10-16-19(25)22-13-5-3-4-6-14(13)28-16/h3-6,11,16H,7-10H2,1-2H3,(H,22,25)(H,23,24)