2-methoxyethyl 4-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC)NC(=O)C2CC2

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC)NC(=O)C2CC2

InChI

InChI=1S/C19H25N3O5S/c1-12-3-6-14(11-15(12)21-18(25)13-4-5-13)20-19(28)22-16(23)7-8-17(24)27-10-9-26-2/h3,6,11,13H,4-5,7-10H2,1-2H3,(H,21,25)(H2,20,22,23,28)