ethyl 3-[[2-(methoxycarbonylcarbamothioylamino)-4-(phenylcarbonyl)phenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[[2-(methoxycarbonylcarbamothioylamino)-4-(phenylcarbonyl)phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[4-benzoyl-2-(methoxycarbonylcarbamothioylamino)anilino]-3-oxo-propanoate CAS Name: 3-[4-benzoyl-2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]anilino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-benzoyl-2-(methoxycarbonylcarbamothioylamino)anilino]-3-oxopropanoate Traditional Name: 3-[4-benzoyl-2-(carbomethoxythiocarbamoylamino)anilino]-3-keto-propionic acid ethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)NC(=S)NC(=O)OC

Isomeric SMILES

CCOC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)NC(=S)NC(=O)OC

InChI

InChI=1S/C21H21N3O6S/c1-3-30-18(26)12-17(25)22-15-10-9-14(19(27)13-7-5-4-6-8-13)11-16(15)23-20(31)24-21(28)29-2/h4-11H,3,12H2,1-2H3,(H,22,25)(H2,23,24,28,31)