methyl (2S)-2-[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-oxo-2-(3-oxo-1,4-benzothiazin-4-yl)ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(3-keto-1,4-benzothiazin-4-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C20H20N2O4S/c1-26-20(25)15(11-14-7-3-2-4-8-14)21-18(23)12-22-16-9-5-6-10-17(16)27-13-19(22)24/h2-10,15H,11-13H2,1H3,(H,21,23)/t15-/m0/s1