4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxidanylidene-3-(thiophen-2-ylmethyl)-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxidanylidene-3-(thiophen-2-ylmethyl)-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-(2-thienylmethyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[2-(4-carbethoxyphenyl)imino-4-keto-3-(2-thenyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C26H23N3O6S2 MolecularWeight: 537.60732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)CC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)CC4=CC=CS4

InChI

InChI=1S/C26H23N3O6S2/c1-2-35-25(34)17-7-11-19(12-8-17)28-26-29(15-20-4-3-13-36-20)22(30)14-21(37-26)23(31)27-18-9-5-16(6-10-18)24(32)33/h3-13,21H,2,14-15H2,1H3,(H,27,31)(H,32,33)