ethyl 3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-3-phenyl-propanoate CAS Name: 3-[[[[6-ethyl-2-(1-pyrrolyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylamino]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-3-phenylpropanoate Traditional Name: 3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-3-phenyl-propionic acid ethyl ester Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)SC(=C2CNC(=O)NC(CC(=O)OCC)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCN1CCC2=C(C1)SC(=C2CNC(=O)NC(CC(=O)OCC)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C26H32N4O3S/c1-3-29-15-12-20-21(25(34-23(20)18-29)30-13-8-9-14-30)17-27-26(32)28-22(16-24(31)33-4-2)19-10-6-5-7-11-19/h5-11,13-14,22H,3-4,12,15-18H2,1-2H3,(H2,27,28,32)