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

Systemtic Name: propan-2-yl 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-13(2)27-20(25)15-7-10-17-18(12-15)28-21(22-17)23-19(24)11-6-14-4-8-16(26-3)9-5-14/h4-13H,1-3H3,(H,22,23,24)/b11-6+