2-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-(3-formyl-2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C16H16NO3S- MolecularWeight: 302.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)[O-])C)C=O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)[O-])C)C=O

InChI

InChI=1S/C16H17NO3S/c1-9-7-11(8-18)10(2)17(9)15-14(16(19)20)12-5-3-4-6-13(12)21-15/h7-8H,3-6H2,1-2H3,(H,19,20)/p-1