[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate Openeye Name: 1-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid 1-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)OC(=O)C3=CC=NC=C3

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H17N3O4S/c1-3-14(25-17(23)11-6-8-19-9-7-11)16(22)21-18-20-13-5-4-12(24-2)10-15(13)26-18/h4-10,14H,3H2,1-2H3,(H,20,21,22)