ethyl 2-azanyl-5-(methylcarbamoyl)-4-[[[(1S)-2-methyl-1-phenyl-propyl]amino]methyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[[[(1S)-2-methyl-1-phenyl-propyl]amino]methyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[[[(1S)-2-methyl-1-phenyl-propyl]amino]methyl]thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]thiophene-3-carboxylate Traditional Name: 2-amino-5-(methylcarbamoyl)-4-[[[(1S)-2-methyl-1-phenyl-propyl]amino]methyl]thiophene-3-carboxylic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CNC(C2=CC=CC=C2)C(C)C)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CN[C@H](C2=CC=CC=C2)C(C)C)C(=O)NC)N

InChI

InChI=1S/C20H27N3O3S/c1-5-26-20(25)15-14(17(19(24)22-4)27-18(15)21)11-23-16(12(2)3)13-9-7-6-8-10-13/h6-10,12,16,23H,5,11,21H2,1-4H3,(H,22,24)/t16-/m0/s1