[2-(4-ethoxycarbonyl-1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: [2-(4-ethoxycarbonyl-1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: [2-(4-ethoxycarbonyl-1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid [2-(4-ethoxycarbonyl-1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonyl-1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid [2-(4-carbethoxy-1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C(=O)COC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)C(=O)COC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C25H24N4O5S/c1-5-29-14(3)19(20(15(29)4)24(31)33-6-2)17(30)13-34-25(32)22-21(26-11-12-27-22)23-28-16-9-7-8-10-18(16)35-23/h7-12H,5-6,13H2,1-4H3