1,3-benzothiazol-2-ylmethyl 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(3-indolin-1-ylsulfonyl-4,5-dimethoxy-phenyl)prop-2-enoate CAS Name: 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxyphenyl]-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoate Traditional Name: 3-(3-indolin-1-ylsulfonyl-4,5-dimethoxy-phenyl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C27H24N2O6S2 MolecularWeight: 536.61926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCC5=CC=CC=C54)OC

InChI

InChI=1S/C27H24N2O6S2/c1-33-22-15-18(11-12-26(30)35-17-25-28-20-8-4-6-10-23(20)36-25)16-24(27(22)34-2)37(31,32)29-14-13-19-7-3-5-9-21(19)29/h3-12,15-16H,13-14,17H2,1-2H3