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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NC4=CC=CC=C4S3

InChI

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