[(Z)-[1-azanyl-2-(1,3-benzothiazol-2-ylsulfanyl)ethylidene]amino] 4-methylbenzoate

Systemtic Name: [(Z)-[1-azanyl-2-(1,3-benzothiazol-2-ylsulfanyl)ethylidene]amino] 4-methylbenzoate Openeye Name: [(Z)-[1-amino-2-(1,3-benzothiazol-2-ylsulfanyl)ethylidene]amino] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(Z)-[1-amino-2-(1,3-benzothiazol-2-ylthio)ethylidene]amino] ester IUPAC Name: [(Z)-[1-amino-2-(1,3-benzothiazol-2-ylsulfanyl)ethylidene]amino] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(Z)-[1-amino-2-(1,3-benzothiazol-2-ylthio)ethylidene]amino] ester Formula: C17H15N3O2S2 MolecularWeight: 357.4499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ON=C(CSC2=NC3=CC=CC=C3S2)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O/N=C(/CSC2=NC3=CC=CC=C3S2)\N

InChI

InChI=1S/C17H15N3O2S2/c1-11-6-8-12(9-7-11)16(21)22-20-15(18)10-23-17-19-13-4-2-3-5-14(13)24-17/h2-9H,10H2,1H3,(H2,18,20)