2-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate

Systemtic Name: 2-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate Openeye Name: 2-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate CAS Name: propanoic acid 2-[[7-(1,3-benzothiazol-2-ylthio)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate Traditional Name: propionic acid 2-[[7-(1,3-benzothiazol-2-ylthio)-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C18H15N5O5S2 MolecularWeight: 445.4722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5S2/c1-2-14(24)27-8-7-19-11-9-13(15-16(22-28-21-15)17(11)23(25)26)30-18-20-10-5-3-4-6-12(10)29-18/h3-6,9,19H,2,7-8H2,1H3