(phenylmethyl) 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(2-methoxy-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylate CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C27H26N2O6S2 MolecularWeight: 538.63514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(NC(=C1CC(=O)OC)CSC2=NC3=CC=CC=C3S2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)CCC1=C(NC(=C1CC(=O)OC)CSC2=NC3=CC=CC=C3S2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O6S2/c1-33-23(30)13-12-18-19(14-24(31)34-2)21(16-36-27-29-20-10-6-7-11-22(20)37-27)28-25(18)26(32)35-15-17-8-4-3-5-9-17/h3-11,28H,12-16H2,1-2H3