methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C30H24N2O6S MolecularWeight: 540.58636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C=CC4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)/C=C/C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C30H24N2O6S/c1-3-38-21-14-15-22-24(17-21)39-30(31-22)32-26(19-10-12-20(13-11-19)29(36)37-2)25(27(34)28(32)35)23(33)16-9-18-7-5-4-6-8-18/h4-17,26,34H,3H2,1-2H3/b16-9+