[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxylic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC(=O)NCC(=O)N)N3C=CC=C3)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC(=O)NCC(=O)N)N3C=CC=C3)C

InChI

InChI=1S/C18H18N4O4S/c1-10-7-11(2)21-17-14(10)15(22-5-3-4-6-22)16(27-17)18(25)26-9-13(24)20-8-12(19)23/h3-7H,8-9H2,1-2H3,(H2,19,23)(H,20,24)