(2Z)-4-[(3-methylphenyl)methyl]-3-oxidanylidene-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-(phenylmethylidene)-1,4-benzothiazine-6-carboxamide

Systemtic Name: (2Z)-4-[(3-methylphenyl)methyl]-3-oxidanylidene-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-(phenylmethylidene)-1,4-benzothiazine-6-carboxamide Openeye Name: (2Z)-2-benzylidene-4-(m-tolylmethyl)-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-benzothiazine-6-carboxamide CAS Name: (2Z)-4-[(3-methylphenyl)methyl]-3-oxo-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-(phenylmethylene)-1,4-benzothiazine-6-carboxamide IUPAC Name: (2Z)-2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-benzothiazine-6-carboxamide Traditional Name: (2Z)-2-benzal-3-keto-N-[3-(2-ketopyrrolidino)propyl]-4-(3-methylbenzyl)-1,4-benzothiazine-6-carboxamide Formula: C31H31N3O3S MolecularWeight: 525.66114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCCN4CCCC4=O)SC(=CC5=CC=CC=C5)C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCCN4CCCC4=O)S/C(=C\C5=CC=CC=C5)/C2=O

InChI

InChI=1S/C31H31N3O3S/c1-22-8-5-11-24(18-22)21-34-26-20-25(30(36)32-15-7-17-33-16-6-12-29(33)35)13-14-27(26)38-28(31(34)37)19-23-9-3-2-4-10-23/h2-5,8-11,13-14,18-20H,6-7,12,15-17,21H2,1H3,(H,32,36)/b28-19-