4-methoxy-3-[4-methoxy-1-(phenylmethyl)indol-3-yl]-4-oxidanylidene-butanethioic S-acid

Systemtic Name: 4-methoxy-3-[4-methoxy-1-(phenylmethyl)indol-3-yl]-4-oxidanylidene-butanethioic S-acid Openeye Name: 3-(1-benzyl-4-methoxy-indol-3-yl)-4-methoxy-4-oxo-butanethioic S-acid CAS Name: 4-methoxy-3-[4-methoxy-1-(phenylmethyl)-3-indolyl]-4-oxobutanethioic S-acid IUPAC Name: 3-(1-benzyl-4-methoxyindol-3-yl)-4-methoxy-4-oxobutanethioic S-acid Traditional Name: 3-(1-benzyl-4-methoxy-indol-3-yl)-4-keto-4-methoxy-thiobutyric acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=CN2CC3=CC=CC=C3)C(CC(=O)S)C(=O)OC

Isomeric SMILES

COC1=CC=CC2=C1C(=CN2CC3=CC=CC=C3)C(CC(=O)S)C(=O)OC

InChI

InChI=1S/C21H21NO4S/c1-25-18-10-6-9-17-20(18)16(15(11-19(23)27)21(24)26-2)13-22(17)12-14-7-4-3-5-8-14/h3-10,13,15H,11-12H2,1-2H3,(H,23,27)