methyl 3-methyl-4-[[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzoate

Systemtic Name: methyl 3-methyl-4-[[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzoate Openeye Name: methyl 3-methyl-4-[[2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl]amino]benzoate CAS Name: 3-methyl-4-[[2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl]amino]-3-methyl-benzoic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCC(=O)NC(=O)NCCC2=CC=CS2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCC(=O)NC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C18H21N3O4S/c1-12-10-13(17(23)25-2)5-6-15(12)20-11-16(22)21-18(24)19-8-7-14-4-3-9-26-14/h3-6,9-10,20H,7-8,11H2,1-2H3,(H2,19,21,22,24)