O4-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) O1-(phenylmethyl) (2S)-2-(phenylmethoxycarbonylamino)butanedioate

Systemtic Name: O4-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) O1-(phenylmethyl) (2S)-2-(phenylmethoxycarbonylamino)butanedioate Openeye Name: O1-benzyl O4-(4-methyl-2-thioxo-thiazol-3-yl) (2S)-2-(benzyloxycarbonylamino)butanedioate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)butanedioic acid O4-(4-methyl-2-sulfanylidene-3-thiazolyl) ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) (2S)-2-(phenylmethoxycarbonylamino)butanedioate Traditional Name: (2S)-2-(benzyloxycarbonylamino)succinic acid O1-benzyl ester O4-(4-methyl-2-thioxo-4-thiazolin-3-yl) ester Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=S)N1OC(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=S)N1OC(=O)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O6S2/c1-16-15-33-23(32)25(16)31-20(26)12-19(21(27)29-13-17-8-4-2-5-9-17)24-22(28)30-14-18-10-6-3-7-11-18/h2-11,15,19H,12-14H2,1H3,(H,24,28)/t19-/m0/s1