[(E)-[1-azanyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethylidene]amino] pyridine-3-carboxylate

Systemtic Name: [(E)-[1-azanyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethylidene]amino] pyridine-3-carboxylate Openeye Name: [(E)-[1-amino-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethylidene]amino] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(E)-[1-amino-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]ethylidene]amino] ester IUPAC Name: [(E)-[1-amino-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethylidene]amino] pyridine-3-carboxylate Traditional Name: nicotinic acid [(E)-[1-amino-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]ethylidene]amino] ester Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=NOC(=O)C3=CN=CC=C3)N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SC/C(=N\OC(=O)C3=CN=CC=C3)/N

InChI

InChI=1S/C17H16N4O3S2/c1-2-23-12-5-6-13-14(8-12)26-17(20-13)25-10-15(18)21-24-16(22)11-4-3-7-19-9-11/h3-9H,2,10H2,1H3,(H2,18,21)