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

Systemtic Name: methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H13ClN2O3S MolecularWeight: 372.82542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O3S/c1-24-17(23)12-5-8-14-15(10-12)25-18(20-14)21-16(22)9-4-11-2-6-13(19)7-3-11/h2-10H,1H3,(H,20,21,22)/b9-4+