2-[5-azanyl-1,4-bis(oxidanylidene)-2-phenyl-6-(3-phenylpropyl)-2-sulfanyl-1,3-thiazin-3-yl]ethanoic acid

Systemtic Name: 2-[5-azanyl-1,4-bis(oxidanylidene)-2-phenyl-6-(3-phenylpropyl)-2-sulfanyl-1,3-thiazin-3-yl]ethanoic acid Openeye Name: 2-[5-amino-1,4-dioxo-2-phenyl-6-(3-phenylpropyl)-2-sulfanyl-1,3-thiazin-3-yl]acetic acid CAS Name: 2-[5-amino-2-mercapto-1,4-dioxo-2-phenyl-6-(3-phenylpropyl)-1,3-thiazin-3-yl]acetic acid IUPAC Name: 2-[5-amino-1,4-dioxo-2-phenyl-6-(3-phenylpropyl)-2-sulfanyl-1,3-thiazin-3-yl]acetic acid Traditional Name: 2-[5-amino-1,4-diketo-2-mercapto-2-phenyl-6-(3-phenylpropyl)-1,3-thiazin-3-yl]acetic acid Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=C(C(=O)N(C(S2=O)(C3=CC=CC=C3)S)CC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=C(C(=O)N(C(S2=O)(C3=CC=CC=C3)S)CC(=O)O)N

InChI

InChI=1S/C21H22N2O4S2/c22-19-17(13-7-10-15-8-3-1-4-9-15)29(27)21(28,16-11-5-2-6-12-16)23(20(19)26)14-18(24)25/h1-6,8-9,11-12,28H,7,10,13-14,22H2,(H,24,25)