methyl (E,3R,4R)-4-[(4-methylphenyl)sulfonylamino]-3,6-dithiophen-2-yl-hex-5-enoate

Systemtic Name: methyl (E,3R,4R)-4-[(4-methylphenyl)sulfonylamino]-3,6-dithiophen-2-yl-hex-5-enoate Openeye Name: methyl (E,3R,4R)-4-(p-tolylsulfonylamino)-3,6-bis(2-thienyl)hex-5-enoate CAS Name: (E,3R,4R)-4-[(4-methylphenyl)sulfonylamino]-3,6-dithiophen-2-yl-5-hexenoic acid methyl ester IUPAC Name: methyl (E,3R,4R)-4-[(4-methylphenyl)sulfonylamino]-3,6-dithiophen-2-ylhex-5-enoate Traditional Name: (E,3R,4R)-3,6-bis(2-thienyl)-4-(tosylamino)hex-5-enoic acid methyl ester Formula: C22H23NO4S3 MolecularWeight: 461.61732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C=CC2=CC=CS2)C(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](/C=C/C2=CC=CS2)[C@@H](CC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C22H23NO4S3/c1-16-7-10-18(11-8-16)30(25,26)23-20(12-9-17-5-3-13-28-17)19(15-22(24)27-2)21-6-4-14-29-21/h3-14,19-20,23H,15H2,1-2H3/b12-9+/t19-,20-/m1/s1