dimethyl 5-[[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbamoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-oxo-4-(p-tolylmethyl)-1,4-benzothiazin-6-yl]carbamoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]amino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]carbamoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-keto-4-(4-methylbenzyl)-1,4-benzothiazin-6-yl]carbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)CSC3=C2C=C(C=C3)NC(=O)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)CSC3=C2C=C(C=C3)NC(=O)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C27H25N3O6S/c1-16-4-6-17(7-5-16)14-30-22-13-20(8-9-23(22)37-15-24(30)31)28-27(34)29-21-11-18(25(32)35-2)10-19(12-21)26(33)36-3/h4-13H,14-15H2,1-3H3,(H2,28,29,34)