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

Systemtic Name: [(E)-[1-azanyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethylidene]amino] benzoate Openeye Name: [(E)-[1-amino-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethylidene]amino] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [(E)-[1-amino-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]ethylidene]amino] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S2/c1-2-23-13-8-9-14-15(10-13)26-18(20-14)25-11-16(19)21-24-17(22)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,19,21)