methyl 4-chloranyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]benzoate Openeye Name: methyl 4-chloro-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]benzoate CAS Name: 4-chloro-2-[[[[6-methyl-2-(1-pyrrolyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]benzoate Traditional Name: 4-chloro-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]benzoic acid methyl ester Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)SC(=C2CNC(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC)N4C=CC=C4

Isomeric SMILES

CN1CCC2=C(C1)SC(=C2CNC(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC)N4C=CC=C4

InChI

InChI=1S/C22H23ClN4O3S/c1-26-10-7-15-17(20(31-19(15)13-26)27-8-3-4-9-27)12-24-22(29)25-18-11-14(23)5-6-16(18)21(28)30-2/h3-6,8-9,11H,7,10,12-13H2,1-2H3,(H2,24,25,29)