[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetic acid [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]acetic acid [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4O4S/c25-18(23-17-9-10-21-24(17)13-5-1-2-6-13)12-28-19(26)11-16-20(27)22-14-7-3-4-8-15(14)29-16/h3-4,7-10,13,16H,1-2,5-6,11-12H2,(H,22,27)(H,23,25)/t16-/m1/s1