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

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]acetic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O4S/c1-2-3-6-15-9-11-16(12-10-15)23-20(25)14-28-21(26)13-19-22(27)24-17-7-4-5-8-18(17)29-19/h4-5,7-12,19H,2-3,6,13-14H2,1H3,(H,23,25)(H,24,27)/t19-/m0/s1