(phenylmethyl) (2R)-2-[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: (phenylmethyl) (2R)-2-[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: benzyl (2R)-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: (2R)-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: (2R)-2-[(7S)-4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl]propionic acid benzyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)N(C=N3)C(C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)[C@H](C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3S/c1-13-8-9-16-17(10-13)27-19-18(16)20(24)23(12-22-19)14(2)21(25)26-11-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3/t13-,14+/m0/s1