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

Systemtic Name: ethyl 3-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-3-phenyl-propanoate CAS Name: 3-[[[[6-methyl-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-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-3-phenylpropanoate Traditional Name: 3-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-3-phenyl-propionic acid ethyl ester Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)NCC2=C(SC3=C2CCN(C3)C)N4C=CC=C4

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)NCC2=C(SC3=C2CCN(C3)C)N4C=CC=C4

InChI

InChI=1S/C25H30N4O3S/c1-3-32-23(30)15-21(18-9-5-4-6-10-18)27-25(31)26-16-20-19-11-14-28(2)17-22(19)33-24(20)29-12-7-8-13-29/h4-10,12-13,21H,3,11,14-17H2,1-2H3,(H2,26,27,31)