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

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

Isomeric SMILES

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

InChI

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