ethyl (E)-4-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC(=C1C)NC(=O)C2CC2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC(=C1C)NC(=O)C2CC2

InChI

InChI=1S/C18H21N3O4S/c1-3-25-16(23)10-9-15(22)21-18(26)20-14-6-4-5-13(11(14)2)19-17(24)12-7-8-12/h4-6,9-10,12H,3,7-8H2,1-2H3,(H,19,24)(H2,20,21,22,26)/b10-9+