[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 5-(cyclopropylcarbonylamino)thiophene-2-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 5-(cyclopropylcarbonylamino)thiophene-2-carboxylate Openeye Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxo-ethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate CAS Name: 5-[[cyclopropyl(oxo)methyl]amino]-2-thiophenecarboxylic acid [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate Traditional Name: 5-(cyclopropanecarbonylamino)thiophene-2-carboxylic acid [2-[[4-(dimethylamino)benzyl]-methyl-amino]-2-keto-ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC=C(S2)NC(=O)C3CC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC=C(S2)NC(=O)C3CC3

InChI

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