ethyl 3-oxidanyl-2-(phenylmethoxycarbonylamino)-3-[5-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)thiophen-2-yl]propanoate

Systemtic Name: ethyl 3-oxidanyl-2-(phenylmethoxycarbonylamino)-3-[5-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)thiophen-2-yl]propanoate Openeye Name: ethyl 2-(benzyloxycarbonylamino)-3-hydroxy-3-[5-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-2-thienyl]propanoate CAS Name: 3-hydroxy-2-(phenylmethoxycarbonylamino)-3-[5-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-2-thiophenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-2-(phenylmethoxycarbonylamino)-3-[5-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)thiophen-2-yl]propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-hydroxy-3-[5-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-2-thienyl]propionic acid ethyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(S1)CC2C3=CC=CC=C3CCN2)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(S1)CC2C3=CC=CC=C3CCN2)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O5S/c1-2-33-26(31)24(29-27(32)34-17-18-8-4-3-5-9-18)25(30)23-13-12-20(35-23)16-22-21-11-7-6-10-19(21)14-15-28-22/h3-13,22,24-25,28,30H,2,14-17H2,1H3,(H,29,32)