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

Systemtic Name: methyl 2-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3-keto-4H-1,4-benzothiazin-2-yl)propanoylamino]-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:

CC(C1C(=O)NC2=CC=CC=C2S1)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC(C1C(=O)NC2=CC=CC=C2S1)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C21H22N2O4S2/c1-11(17-19(25)22-13-8-4-6-10-15(13)28-17)18(24)23-20-16(21(26)27-2)12-7-3-5-9-14(12)29-20/h4,6,8,10-11,17H,3,5,7,9H2,1-2H3,(H,22,25)(H,23,24)