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

Systemtic Name: 4-[[(6R)-2-(3-methoxyphenyl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[(6R)-3-allyl-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[(6R)-2-(3-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(6R)-2-(3-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[(6R)-3-allyl-4-keto-2-(3-methoxyphenyl)imino-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=CC(=C1)N=C2N(C(=O)C[C@@H](S2)C(=O)NC3=CC=C(C=C3)C(=O)O)CC=C

InChI

InChI=1S/C22H21N3O5S/c1-3-11-25-19(26)13-18(20(27)23-15-9-7-14(8-10-15)21(28)29)31-22(25)24-16-5-4-6-17(12-16)30-2/h3-10,12,18H,1,11,13H2,2H3,(H,23,27)(H,28,29)/t18-/m1/s1