ethyl 3-[2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-amino]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[[2-(cyclopropylamino)-2-keto-ethyl]-methyl-amino]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN(C)CC(=O)NC3CC3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN(C)CC(=O)NC3CC3

InChI

InChI=1S/C21H25N3O4S/c1-3-28-21(27)20-16(11-17(29-20)14-7-5-4-6-8-14)23-19(26)13-24(2)12-18(25)22-15-9-10-15/h4-8,11,15H,3,9-10,12-13H2,1-2H3,(H,22,25)(H,23,26)