propan-2-yl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(E)-3-(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-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S/c1-12(2)28-19(25)14-7-8-16-17(11-14)29-20(21-16)22-18(24)9-6-13-4-3-5-15(10-13)23(26)27/h3-12H,1-2H3,(H,21,22,24)/b9-6+