ethyl 4-[2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-amino-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-amino-1,3-benzothiazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N

InChI

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