(E)-4-[[2-(methoxycarbonylcarbamothioylamino)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[2-(methoxycarbonylcarbamothioylamino)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-(methoxycarbonylcarbamothioylamino)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-(methoxycarbonylcarbamothioylamino)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-(carbomethoxythiocarbamoylamino)anilino]-4-keto-but-2-enoic acid Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=CC=CC=C1NC(=O)C=CC(=O)O

Isomeric SMILES

COC(=O)NC(=S)NC1=CC=CC=C1NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H13N3O5S/c1-21-13(20)16-12(22)15-9-5-3-2-4-8(9)14-10(17)6-7-11(18)19/h2-7H,1H3,(H,14,17)(H,18,19)(H2,15,16,20,22)/b7-6+