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

Systemtic Name: 2-methoxyethyl 4-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(cyclopropanecarbonylamino)-2-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=CC=C1NC(=S)NC(=O)CCC(=O)OCCOC)NC(=O)C2CC2

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)CCC(=O)OCCOC)NC(=O)C2CC2

InChI

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