1-chloroethyl 6-nitro-2-prop-2-enyl-2H-1,3-benzothiazole-3-carboxylate

Systemtic Name: 1-chloroethyl 6-nitro-2-prop-2-enyl-2H-1,3-benzothiazole-3-carboxylate Openeye Name: 1-chloroethyl 2-allyl-6-nitro-2H-1,3-benzothiazole-3-carboxylate CAS Name: 6-nitro-2-prop-2-enyl-2H-1,3-benzothiazole-3-carboxylic acid 1-chloroethyl ester IUPAC Name: 1-chloroethyl 6-nitro-2-prop-2-enyl-2H-1,3-benzothiazole-3-carboxylate Traditional Name: 2-allyl-6-nitro-2H-1,3-benzothiazole-3-carboxylic acid 1-chloroethyl ester Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)N1C(SC2=C1C=CC(=C2)[N+](=O)[O-])CC=C)Cl

Isomeric SMILES

CC(OC(=O)N1C(SC2=C1C=CC(=C2)[N+](=O)[O-])CC=C)Cl

InChI

InChI=1S/C13H13ClN2O4S/c1-3-4-12-15(13(17)20-8(2)14)10-6-5-9(16(18)19)7-11(10)21-12/h3,5-8,12H,1,4H2,2H3