(E)-but-2-enedioic acid; 8-phenylsulfanyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 8-phenylsulfanyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine Openeye Name: fumaric acid; N-isopropyl-8-phenylsulfanyl-tetralin-2-amine CAS Name: (E)-2-butenedioic acid; 8-(phenylthio)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine IUPAC Name: (E)-but-2-enedioic acid; 8-phenylsulfanyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine Traditional Name: fumaric acid; isopropyl-[8-(phenylthio)tetralin-2-yl]amine Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1CCC2=C(C1)C(=CC=C2)SC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NC1CCC2=C(C1)C(=CC=C2)SC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H23NS.C4H4O4/c1-14(2)20-16-12-11-15-7-6-10-19(18(15)13-16)21-17-8-4-3-5-9-17;5-3(6)1-2-4(7)8/h3-10,14,16,20H,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+