methyl 3-[2-[2-[2-(cyclopropylamino)ethanoylamino]phenyl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[2-[2-(cyclopropylamino)ethanoylamino]phenyl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[2-[[2-(cyclopropylamino)acetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[2-[[2-(cyclopropylamino)-1-oxoethyl]amino]phenyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[2-[[2-(cyclopropylamino)acetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[2-[[2-(cyclopropylamino)acetyl]amino]phenyl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NC(=O)CNC3CC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NC(=O)CNC3CC3

InChI

InChI=1S/C19H21N3O4S2/c1-26-19(25)18-14(8-9-27-18)22-17(24)11-28-15-5-3-2-4-13(15)21-16(23)10-20-12-6-7-12/h2-5,8-9,12,20H,6-7,10-11H2,1H3,(H,21,23)(H,22,24)