ethyl 4-[[(2S)-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]propanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]propanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propanoyl]amino]benzoate CAS Name: 4-[[(2S)-1-oxo-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]propanoyl]amino]benzoic acid ethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)C2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-3-26-20(25)13-8-10-14(11-9-13)21-18(23)12(2)17-19(24)22-15-6-4-5-7-16(15)27-17/h4-12,17H,3H2,1-2H3,(H,21,23)(H,22,24)/t12-,17-/m1/s1