methyl (3aS,7R,7aR)-2,2-dimethyl-7-phenoxycarbothioyloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl (3aS,7R,7aR)-2,2-dimethyl-7-phenoxycarbothioyloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Openeye Name: methyl (3aS,7R,7aR)-2,2-dimethyl-7-phenoxycarbothioyloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate CAS Name: (3aS,7R,7aR)-2,2-dimethyl-7-[phenoxy(sulfanylidene)methoxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl (3aS,7R,7aR)-2,2-dimethyl-7-phenoxycarbothioyloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Traditional Name: (3aS,7R,7aR)-2,2-dimethyl-7-phenoxycarbothioyloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester Formula: C18H20O6S MolecularWeight: 364.4128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C=C(CC(C2O1)OC(=S)OC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1(O[C@H]2C=C(C[C@H]([C@H]2O1)OC(=S)OC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C18H20O6S/c1-18(2)23-14-10-11(16(19)20-3)9-13(15(14)24-18)22-17(25)21-12-7-5-4-6-8-12/h4-8,10,13-15H,9H2,1-3H3/t13-,14+,15-/m1/s1