(2-azanyl-3-thiophen-2-yl-propanoyl) (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: (2-azanyl-3-thiophen-2-yl-propanoyl) (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: [2-amino-3-(2-thienyl)propanoyl] (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (2-amino-1-oxo-3-thiophen-2-ylpropyl) ester IUPAC Name: (2-amino-3-thiophen-2-ylpropanoyl) (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [2-amino-3-(2-thienyl)propanoyl] ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=CC=CC=C21)C(=O)OC(=O)C(CC3=CC=CS3)N

Isomeric SMILES

C1[C@H](NCC2=CC=CC=C21)C(=O)OC(=O)C(CC3=CC=CS3)N

InChI

InChI=1S/C17H18N2O3S/c18-14(9-13-6-3-7-23-13)16(20)22-17(21)15-8-11-4-1-2-5-12(11)10-19-15/h1-7,14-15,19H,8-10,18H2/t14?,15-/m0/s1