methyl 3-[(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl-methyl]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl-methyl]-1H-indole-2-carboxylate Openeye Name: methyl 3-[(2-ethoxy-2-oxo-ethyl)sulfanyl-phenyl-methyl]-1H-indole-2-carboxylate CAS Name: 3-[[(2-ethoxy-2-oxoethyl)thio]-phenylmethyl]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl-phenylmethyl]-1H-indole-2-carboxylate Traditional Name: 3-[[(2-ethoxy-2-keto-ethyl)thio]-phenyl-methyl]-1H-indole-2-carboxylic acid methyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(C1=CC=CC=C1)C2=C(NC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCOC(=O)CSC(C1=CC=CC=C1)C2=C(NC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H21NO4S/c1-3-26-17(23)13-27-20(14-9-5-4-6-10-14)18-15-11-7-8-12-16(15)22-19(18)21(24)25-2/h4-12,20,22H,3,13H2,1-2H3