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

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-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-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-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-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O4S/c1-24(2)15-9-7-14(8-10-15)12-22-19(25)13-28-20(26)11-18-21(27)23-16-5-3-4-6-17(16)29-18/h3-10,18H,11-13H2,1-2H3,(H,22,25)(H,23,27)/t18-/m0/s1