2-methoxyethyl 4-[(4-iodophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(4-iodophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(4-iodophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-iodoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(4-iodophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-iodophenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C14H17IN2O4S MolecularWeight: 436.26525

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)I

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)I

InChI

InChI=1S/C14H17IN2O4S/c1-20-8-9-21-13(19)7-6-12(18)17-14(22)16-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H2,16,17,18,22)