methyl (6S)-2-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6S)-2-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-2-[(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-2-[(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC=C3C=CC=C(C3=O)OC

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC=C3C=CC=C(C3=O)OC

InChI

InChI=1S/C19H21NO4S/c1-11-7-8-13-15(9-11)25-18(16(13)19(22)24-3)20-10-12-5-4-6-14(23-2)17(12)21/h4-6,10-11,20H,7-9H2,1-3H3/t11-/m0/s1