(3S)-3-(4-phenylmethoxyphenyl)-3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: (3S)-3-(4-phenylmethoxyphenyl)-3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (3S)-3-(4-benzyloxyphenyl)-3-(thiophene-2-carbonylamino)propanoate CAS Name: (3S)-3-[[oxo(thiophen-2-yl)methyl]amino]-3-(4-phenylmethoxyphenyl)propanoate IUPAC Name: (3S)-3-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate Traditional Name: (3S)-3-(4-benzoxyphenyl)-3-(2-thenoylamino)propionate Formula: C21H18NO4S- MolecularWeight: 380.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(CC(=O)[O-])NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)[C@H](CC(=O)[O-])NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H19NO4S/c23-20(24)13-18(22-21(25)19-7-4-12-27-19)16-8-10-17(11-9-16)26-14-15-5-2-1-3-6-15/h1-12,18H,13-14H2,(H,22,25)(H,23,24)/p-1/t18-/m0/s1