(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C24H16ClN3O4S MolecularWeight: 477.91954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4)Cl

InChI

InChI=1S/C24H16ClN3O4S/c1-2-13-9-18-15(11-16(13)25)14(10-20(29)32-18)12-31-24(30)22-21(26-7-8-27-22)23-28-17-5-3-4-6-19(17)33-23/h3-11H,2,12H2,1H3