methyl (3S)-3-aminocarbonyl-1,1-bis(oxidanylidene)-3-(phenylmethyl)-1,2-benzothiazole-2-carboxylate

Systemtic Name: methyl (3S)-3-aminocarbonyl-1,1-bis(oxidanylidene)-3-(phenylmethyl)-1,2-benzothiazole-2-carboxylate Openeye Name: methyl (3S)-3-benzyl-3-carbamoyl-1,1-dioxo-1,2-benzothiazole-2-carboxylate CAS Name: (3S)-3-carbamoyl-1,1-dioxo-3-(phenylmethyl)-1,2-benzothiazole-2-carboxylic acid methyl ester IUPAC Name: methyl (3S)-3-benzyl-3-carbamoyl-1,1-dioxo-1,2-benzothiazole-2-carboxylate Traditional Name: (3S)-3-benzyl-3-carbamoyl-1,1-diketo-1,2-benzothiazole-2-carboxylic acid methyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(C2=CC=CC=C2S1(=O)=O)(CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

COC(=O)N1[C@](C2=CC=CC=C2S1(=O)=O)(CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C17H16N2O5S/c1-24-16(21)19-17(15(18)20,11-12-7-3-2-4-8-12)13-9-5-6-10-14(13)25(19,22)23/h2-10H,11H2,1H3,(H2,18,20)/t17-/m0/s1