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

Systemtic Name: 4-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxidanylidene-2-phenylimino-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-keto-3-[2-(4-methoxyphenyl)ethyl]-2-phenylimino-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)CCN2C(=O)CC(SC2=NC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCN2C(=O)CC(SC2=NC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

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