methyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-phenyl-propionic acid methyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H16N2O4S/c1-23-17(20)14(11-12-7-3-2-4-8-12)18-16-13-9-5-6-10-15(13)24(21,22)19-16/h2-10,14H,11H2,1H3,(H,18,19)/t14-/m0/s1