3-[[2-(3-chloranyl-4-methyl-phenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-(3-chloranyl-4-methyl-phenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(3-chloro-4-methyl-phenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(3-chloro-4-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3-chloro-4-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(3-chloro-4-methyl-phenyl)imino-4-keto-3-methyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)C)Cl

InChI

InChI=1S/C20H18ClN3O4S/c1-11-6-7-14(9-15(11)21)23-20-24(2)17(25)10-16(29-20)18(26)22-13-5-3-4-12(8-13)19(27)28/h3-9,16H,10H2,1-2H3,(H,22,26)(H,27,28)