4-[[2-(4-methoxyphenyl)imino-4-oxidanylidene-3-phenethyl-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-(4-methoxyphenyl)imino-4-oxidanylidene-3-phenethyl-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(4-methoxyphenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(4-methoxyphenyl)imino-4-oxo-3-phenethyl-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-methoxyphenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-keto-2-(4-methoxyphenyl)imino-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O5S/c1-35-22-13-11-21(12-14-22)29-27-30(16-15-18-5-3-2-4-6-18)24(31)17-23(36-27)25(32)28-20-9-7-19(8-10-20)26(33)34/h2-14,23H,15-17H2,1H3,(H,28,32)(H,33,34)