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

Systemtic Name: propan-2-yl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(E)-3-(4-chlorophenyl)acryloyl]amino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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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

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-12(2)26-19(25)14-6-9-16-17(11-14)27-20(22-16)23-18(24)10-5-13-3-7-15(21)8-4-13/h3-12H,1-2H3,(H,22,23,24)/b10-5+