O1-ethyl O4-(phenylmethyl) (2S)-2-(1-benzothiophen-2-yl)-2-oxidanyl-butanedioate

Systemtic Name: O1-ethyl O4-(phenylmethyl) (2S)-2-(1-benzothiophen-2-yl)-2-oxidanyl-butanedioate Openeye Name: O4-benzyl O1-ethyl (2S)-2-(benzothiophen-2-yl)-2-hydroxy-butanedioate CAS Name: (2S)-2-(1-benzothiophen-2-yl)-2-hydroxybutanedioic acid O1-ethyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-ethyl (2S)-2-(1-benzothiophen-2-yl)-2-hydroxybutanedioate Traditional Name: (2S)-2-(benzothiophen-2-yl)-2-hydroxy-succinic acid O4-benzyl ester O1-ethyl ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)OCC1=CC=CC=C1)(C2=CC3=CC=CC=C3S2)O

Isomeric SMILES

CCOC(=O)[C@@](CC(=O)OCC1=CC=CC=C1)(C2=CC3=CC=CC=C3S2)O

InChI

InChI=1S/C21H20O5S/c1-2-25-20(23)21(24,18-12-16-10-6-7-11-17(16)27-18)13-19(22)26-14-15-8-4-3-5-9-15/h3-12,24H,2,13-14H2,1H3/t21-/m1/s1