ethyl 3-azanyl-2-methyl-3-phenyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-2-methyl-3-phenyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-amino-2-methyl-3-phenyl-benzothiophene-2-carboxylate CAS Name: 3-amino-2-methyl-3-phenyl-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2-methyl-3-phenyl-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-2-methyl-3-phenyl-benzothiophene-2-carboxylic acid ethyl ester Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C2=CC=CC=C2S1)(C3=CC=CC=C3)N)C

Isomeric SMILES

CCOC(=O)C1(C(C2=CC=CC=C2S1)(C3=CC=CC=C3)N)C

InChI

InChI=1S/C18H19NO2S/c1-3-21-16(20)17(2)18(19,13-9-5-4-6-10-13)14-11-7-8-12-15(14)22-17/h4-12H,3,19H2,1-2H3