methyl 4-(1,3-dithian-2-ylidene)-2-(1-hydroxyethyl)-3-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl 4-(1,3-dithian-2-ylidene)-2-(1-hydroxyethyl)-3-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl 3-(benzyloxycarbonylamino)-4-(1,3-dithian-2-ylidene)-2-(1-hydroxyethyl)pentanoate CAS Name: 4-(1,3-dithian-2-ylidene)-2-(1-hydroxyethyl)-3-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl 4-(1,3-dithian-2-ylidene)-2-(1-hydroxyethyl)-3-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 3-(benzyloxycarbonylamino)-4-(1,3-dithian-2-ylidene)-2-(1-hydroxyethyl)valeric acid methyl ester Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(=C1SCCCS1)C)NC(=O)OCC2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

CC(C(C(C(=C1SCCCS1)C)NC(=O)OCC2=CC=CC=C2)C(=O)OC)O

InChI

InChI=1S/C20H27NO5S2/c1-13(19-27-10-7-11-28-19)17(16(14(2)22)18(23)25-3)21-20(24)26-12-15-8-5-4-6-9-15/h4-6,8-9,14,16-17,22H,7,10-12H2,1-3H3,(H,21,24)