ethyl (E)-4-oxidanylidene-4-[(3-propan-2-yloxyphenyl)carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[(3-propan-2-yloxyphenyl)carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-[(3-isopropoxyphenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[[(3-propan-2-yloxyanilino)-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[(3-propan-2-yloxyphenyl)carbamothioylamino]but-2-enoate Traditional Name: (E)-4-[(3-isopropoxyphenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-4-21-15(20)9-8-14(19)18-16(23)17-12-6-5-7-13(10-12)22-11(2)3/h5-11H,4H2,1-3H3,(H2,17,18,19,23)/b9-8+