5-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)carbonylamino]thiophene-2-carboxylic acid Openeye Name: 5-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalene-2-carbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalene-2-carbonyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalene-2-carbonyl)amino]-2-thenoic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC3=CC(=CC(=C31)CCC2)C(=O)NC4=CC=C(S4)C(=O)O

Isomeric SMILES

CC12CCCC3=CC(=CC(=C31)CCC2)C(=O)NC4=CC=C(S4)C(=O)O

InChI

InChI=1S/C20H21NO3S/c1-20-8-2-4-12-10-14(11-13(17(12)20)5-3-9-20)18(22)21-16-7-6-15(25-16)19(23)24/h6-7,10-11H,2-5,8-9H2,1H3,(H,21,22)(H,23,24)