propan-2-yl 2-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]amino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C20H16ClN3O5S MolecularWeight: 445.87614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN3O5S/c1-11(2)29-19(26)13-5-7-15-17(10-13)30-20(22-15)23-18(25)8-4-12-3-6-14(21)16(9-12)24(27)28/h3-11H,1-2H3,(H,22,23,25)/b8-4+