(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzothiazin-2-yl)acetic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CC3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O4S/c25-20(13-19-21(26)23-17-5-1-2-6-18(17)29-19)28-14-15-7-9-16(10-8-15)22(27)24-11-3-4-12-24/h1-2,5-10,19H,3-4,11-14H2,(H,23,26)