ethyl 2-[(E)-(3-methoxy-1-benzothiophen-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(E)-(3-methoxy-1-benzothiophen-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(E)-(3-methoxybenzothiophen-2-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(E)-(3-methoxy-1-benzothiophen-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-(3-methoxy-1-benzothiophen-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(E)-(3-methoxybenzothiophen-2-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N=CC3=C(C4=CC=CC=C4S3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)/N=C/C3=C(C4=CC=CC=C4S3)OC

InChI

InChI=1S/C21H21NO3S2/c1-3-25-21(23)18-13-8-4-6-10-15(13)27-20(18)22-12-17-19(24-2)14-9-5-7-11-16(14)26-17/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3/b22-12+