[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC(=O)NCC3=CC=C(C=C3)C(=O)OC)N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC(=O)NCC3=CC=C(C=C3)C(=O)OC)N)C

InChI

InChI=1S/C21H21N3O5S/c1-11-8-12(2)24-19-16(11)17(22)18(30-19)21(27)29-10-15(25)23-9-13-4-6-14(7-5-13)20(26)28-3/h4-8H,9-10,22H2,1-3H3,(H,23,25)