[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]methyl pyrazine-2-carboxylate

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]methyl pyrazine-2-carboxylate Openeye Name: [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methyl-anilino]methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methylanilino]methyl ester IUPAC Name: [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methylanilino]methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid [4-(1,3-benzothiazol-2-ylmethoxy)-N-carbomethoxy-2-methyl-anilino]methyl ester Formula: C23H20N4O5S MolecularWeight: 464.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N(COC(=O)C4=NC=CN=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N(COC(=O)C4=NC=CN=C4)C(=O)OC

InChI

InChI=1S/C23H20N4O5S/c1-15-11-16(31-13-21-26-17-5-3-4-6-20(17)33-21)7-8-19(15)27(23(29)30-2)14-32-22(28)18-12-24-9-10-25-18/h3-12H,13-14H2,1-2H3