(6S)-6-methyl-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: (6S)-6-methyl-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6S)-6-methyl-2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6S)-6-methyl-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6S)-6-methyl-2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6S)-2-[(2-ketochromene-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H17NO5S/c1-10-6-7-12-15(8-10)27-18(16(12)19(23)24)21-17(22)13-9-11-4-2-3-5-14(11)26-20(13)25/h2-5,9-10H,6-8H2,1H3,(H,21,22)(H,23,24)/t10-/m0/s1