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

Systemtic Name: ethyl 3-[2-[methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[[2-(isopropylamino)-2-oxo-ethyl]-methyl-amino]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[[2-(isopropylamino)-2-keto-ethyl]-methyl-amino]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-5-28-21(27)20-16(11-17(29-20)15-9-7-6-8-10-15)23-19(26)13-24(4)12-18(25)22-14(2)3/h6-11,14H,5,12-13H2,1-4H3,(H,22,25)(H,23,26)