ethyl 3-phenyl-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]propanoate

Systemtic Name: ethyl 3-phenyl-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]propanoate Openeye Name: ethyl 3-phenyl-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methylcarbamoylamino]propanoate CAS Name: 3-[[oxo-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylamino]methyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-phenyl-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]propanoate Traditional Name: 3-phenyl-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methylcarbamoylamino]propionic acid ethyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C25H29N3O3S/c1-2-31-23(29)16-21(18-10-4-3-5-11-18)27-25(30)26-17-20-19-12-6-7-13-22(19)32-24(20)28-14-8-9-15-28/h3-5,8-11,14-15,21H,2,6-7,12-13,16-17H2,1H3,(H2,26,27,30)